2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C16H21N3O2 — CID 62318149

IUPAC2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(=O)N1CCNCC1
InChIInChI=1S/C16H21N3O2/c20-15(16(21)19-10-8-17-9-11-19)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17H,3,5,7-11H2,(H,18,20)
InChIKeyMITGGBBJZOJVSV-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds1

About 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 62318149) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID62318149
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(NC1CCCc2ccccc21)C(=O)N1CCNCC1
InChIInChI=1S/C16H21N3O2/c20-15(16(21)19-10-8-17-9-11-19)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17H,3,5,7-11H2,(H,18,20)
InChIKeyMITGGBBJZOJVSV-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 69233352
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 94011690

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 62318149) is 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(NC1CCCc2ccccc21)C(=O)N1CCNCC1.
What is the InChIKey of 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is MITGGBBJZOJVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(16(21)19-10-8-17-9-11-19)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,17H,3,5,7-11H2,(H,18,20).
What are the key properties of 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 62318149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).